5-fluoro-1,3-dihydro-2H-indol-2-one
Grundinformationen
- CAS
56341-41-4- Standard-SMILES
O=C1Cc2cc(F)ccc2N1- InChIKey
DDIIYGHHUMKDGI-UHFFFAOYSA-N- Summenformel
- C8H6FNO
- Durchschnittliche Molmasse
- 151,14 g/mol
- Monoisotopische Masse
- 151,04334198
Namen und Bezeichner
- Bevorzugter Name
- 5-fluoro-1,3-dihydro-2H-indol-2-one
- IUPAC
- 5-fluoro-1,3-dihydroindol-2-one
- Englischer Name
- 5-Fluoro-2-oxindole
- Summenformel
- C8H6FNO
- Molmasse
- 151.14
Namen und Synonyme
5-fluoro-1,3-dihydroindol-2-one5-fluoro-1,3-dihydro-2H-indol-2-oneRefChem:535646638-803-95-Fluorooxindole56341-41-45-Fluoro-2-oxindole5-fluoroindolin-2-one2H-Indol-2-one, 5-fluoro-1,3-dihydro-5-fluoro-2,3-dihydro-1H-indol-2-one5-Fluoro-2-oxoindolineFLUOROOXINDOLE
Weitere Namen anzeigen
5-Fluoro-1,3-dihydro-indol-2-one5-FLUORO-2-OXYINDOLEuorooxindoL5-FLUROOXINDOLE5-Fluoroindolinone5-Fluorooxindole98%
MFCD02179598Sunitinib Impurity F5-Fluoranyl-1,3-dihydroindol-2-one4EW64J5JHCCHEMBL6148002ZINC2577869Oxindole derivative5-Fluoro-2-indolinone
Datenbank-Bezeichner
- CAS
56341-41-4- PubChem CID
- 3731012
- DTXSID
DTXSID40395649- ChEMBL
CHEMBL6148002- UNII
- 4EW64J5JHC
- EC Number
- 638-803-9
- Nikkaji
- J416.476H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 29,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 183
Physikochemische Eigenschaften
- Schmelzpunkt
- 143 · 143-147 °C (lit.)
- Siedepunkt
- 307.2 · 307.2±42.0 °C(Predicted)
- Dichte
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 12.99 · 12.99±0.20(Predicted)
- Aggregatzustand
- Powder or Crystalline Powder
- Farbe
- White to pale brown
- InChI
- InChI=1S/C8H6FNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
- InChIKey
- DDIIYGHHUMKDGI-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(F)C=C2)CC1=O
- CAS Datenbank
- 56341 · 56341-41-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.7% (1 of 37) of reports.
Danger
H301 (78.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 37 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (78.4%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38-34
- hazard_code
- Xi,C
- hazard_note
- Irritant/Keep Cold
- safety_code
- 22-24/25-45-36/37/39-27-26
- hazard_class
- IRRITANT, KEEP COLD
- Speicherklasse
- 13 - Non Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden5-Fluoro-2-oxindole (cas# 56341-41-4) is a compound useful in organic synthesis.
Darstellung
synthetischesynthesis of 5-fluoro-2-oxindole: 4-fluoroaniline was used as the starting material, reacted with chloral hydrate and hydroxylamine hydrochloride to generate 4-fluoroisonitrosoacetanilide, and then cyclized under the action of concentrated sulfuric acid to form the compound 5-fluoroisatin was finally obtained by wolff-kishner-huang minlon reduction to obtain 5-fluoro-2-oxindole with a total yield of 66%.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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